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Substance Name: EINECS 289-532-4
RN: 89899-27-4
InChIKey: ZYOHGXPXCXWCTO-CDEJRQRBSA-G

Molecular Formula

  • C39-H20-Cu2-N5-O14-S3.3Na

Molecular Weight

  • 1074.868
 
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Names and Synonyms

Results Name

  • EINECS 289-532-4

Synonym

  • EINECS 289-532-4

Systematic Name

  • Trisodium (mu-(4-((4'-((6-benzamido-1-hydroxy-3-sulpho-2-naphthyl)azo)-3,3'-dihydroxy(1,1'-biphenyl)-4-yl)azo)-3-hydroxynaphthalene-2,7-disulphonato(7-)))dicuprate(3-)

Registry Numbers

CAS Registry Number

  • 89899-27-4

System Generated Number

  • 0089899274

Molecular Formulas

Molecular Formula

  • C39-H20-Cu2-N5-O14-S3.3Na

Molecular Formula Fragments

  • C39-H20-Cu2-N5-O14-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C39H27N5O14S3.2Cu.3Na/c45-31-16-21(6-12-29(31)41-43-35-27-11-9-26(59(50,51)52)15-24(27)19-34(38(35)48)61(56,57)58)22-7-13-30(32(46)17-22)42-44-36-33(60(53,54)55)18-23-14-25(8-10-28(23)37(36)47)40-39(49)20-4-2-1-3-5-20;;;;;/h1-19,45-48H,(H,40,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;;/q;2*+2;3*+1/p-7/b43-41+,44-42+;;;;;

InChIKey

ZYOHGXPXCXWCTO-CDEJRQRBSA-G

Smiles

[Na+].[Na+].[Na+].O=C(Nc1ccc2c3O[Cu-]4Oc5cc(ccc5N=Nc3c(cc2c1)S(=O)(=O)O4)c6ccc7N=Nc8c9O[Cu-2]%10(Oc7c6)OS(=O)(=O)c%11ccc8c(c%11)cc9S(=O)(=O)O%10)c%12ccccc%12